80928-46-7 ((3β,6α,12β)-3,12,20,25-四羟基达玛烷-6-基2-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖苷,(3β,6α,12β)-3,12,20,25-Tetrahydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside)

CAS号:
80928-46-7
中文名称:
(3β,6α,12β)-3,12,20,25-四羟基达玛烷-6-基2-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖苷
英文名称:
(3β,6α,12β)-3,12,20,25-Tetrahydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
分子式:
C42H74O14
分子量:
803.02857542038

(3β,6α,12β)-3,12,20,25-四羟基达玛烷-6-基2-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖苷(80928-46-7)名称与标识符

名称

英文别名:
(3β,6α,12β)-3,12,20,25-Tetrahydroxydammaran-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside;

标识符

InChIKey:
XDQQABSJWYGGCC-KBQYQVFOSA-N
Inchi:
1S/C42H74O14/c1-20-28(46)30(48)32(50)35(53-20)56-33-31(49)29(47)24(19-43)55-36(33)54-23-18-41(8)25(39(6)15-12-26(45)38(4,5)34(23)39)17-22(44)27-21(11-16-40(27,41)7)42(9,52)14-10-13-37(2,3)51/h20-36,43-52H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34?,35-,36+,39+,40+,41+,42-/m0/s1
SMILES:
O([C@@H]1C[C@@]2([C@@]([H])([C@]3(C)C1[C@](C)(C)[C@H](O)CC3)C[C@H](O)[C@@]1([H])[C@]2(CC[C@@H]1[C@](O)(C)CCCC(O)(C)C)C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

(3β,6α,12β)-3,12,20,25-四羟基达玛烷-6-基2-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖苷(80928-46-7)物化性质

实验特性

  • 沸点 : 915.6±65.0 °C(Predicted)
  • 酸度系数(pKa) : 12.85±0.70(Predicted)
  • 密度 : 1.32±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

(3β,6α,12β)-3,12,20,25-四羟基达玛烷-6-基2-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖苷(80928-46-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Microbial Transformation of 20(S)-Protopanaxatriol-Type Saponins by Absidia coerulea
Chen, Guangtong; et al, Journal of Natural Products, 2007, 70(7), 1203-1206